Properties
| Property | Value |
|---|---|
| Molecular Formula | C70H87ClN16O13 |
| Molecular Weight | 1396.0 |
| Monoisotopic Mass | 1394.6327046 |
| Polar Area | 444 |
| Complexity | 2910 |
| XLogP | 2.9 |
| Heavy Atom Count | 100 |
| Hydrogen Bond Donor Count | 14 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 33 |
| Physical Appearance | Fine White Lyophilized Powder |
| Stability | Lyophilized protein is to be stored at -20°C. It is recommended to aliquot the reconstituted (dissolved) protein into several discrete vials in order to avoid repeated freezing and thawing. Reconstituted protein can be stored at 4°C |
| PubChem LCSS | GnRH (Triptorelin) Laboratory Chemical Safety Summary |
| Certificate of Analysis | GnRH (Triptorelin) Certificate of Analysis |
Identifiers
| Property | Property Value |
|---|---|
| CID | 25078174 |
| CAS | 74611-71-5 |
| InChI | InChI=1S/C70H87ClN16O13/c1-39(2)30-59(67(98)79-51(16-9-27-75-70(73)74)69(100)87-29-11-17-57(87)65(96)78-37-60(72)91)85(4)68(99)55(34-44-36-77-50-15-8-6-13-48(44)50)83-62(93)52(32-42-21-25-46(90)26-22-42)80-64(95)56(38-88)84-63(94)54(33-43-35-76-49-14-7-5-12-47(43)49)81-61(92)53(31-41-19-23-45(71)24-20-41)82-66(97)58-18-10-28-86(58)40(3)89/h5-8, 10, 12-15, 18-26, 35-36, 39, 51-59, 76-77, 88, 90H, 9, 11, 16-17, 27-34, 37-38H2, 1-4H3, (H2, 72, 91)(H, 78, 96)(H, 79, 98)(H, 80, 95)(H, 81, 92)(H, 82, 97)(H, 83, 93)(H, 84, 94)(H4, 73, 74, 75)/t51-, 52-, 53+, 54+, 55+, 56-, 57-, 58-, 59-/m0/s1 |
| InChIKey | IAIQAABWXYYEFZ-FNLUPMSMSA-N |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)N(C)C(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H](CC7=CC=C(C=C7)Cl)NC(=O)[C@@H]8C=CCN8C(=O)C |
| Canonical SMILES | CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)N(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CC=C(C=C7)Cl)NC(=O)C8C=CCN8C(=O)C |
| IUPAC Name | (2S)-1-acetyl-N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-chlorophenyl)-1-oxopropan-2-yl]-2, 5-dihydropyrrole-2-carboxamide |
2D Structure
Generated by Extreme Peptide with Open Babel, version 2.3.1, http://openbabel.org (accessed April 20, 2025)
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